3-[dodecyl(methyl)sulfonio]-3-[hexadecyl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: 3-[dodecyl(methyl)sulfonio]-3-[hexadecyl(dimethyl)azaniumyl]-2-oxidanyl-propane-1-sulfonate Openeye Name: 3-[dodecyl(methyl)sulfonio]-3-[hexadecyl(dimethyl)ammonio]-2-hydroxy-propane-1-sulfonate CAS Name: 3-[dodecyl(methyl)sulfonio]-3-[hexadecyl(dimethyl)ammonio]-2-hydroxy-1-propanesulfonate IUPAC Name: 3-[dodecyl(methyl)sulfonio]-3-[hexadecyl(dimethyl)azaniumyl]-2-hydroxypropane-1-sulfonate Traditional Name: 3-[cetyl(dimethyl)ammonio]-2-hydroxy-3-[lauryl(methyl)sulfonio]propane-1-sulfonate Formula: C34H72NO4S2+ MolecularWeight: 623.06978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(C(CS(=O)(=O)[O-])O)[S+](C)CCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(C(CS(=O)(=O)[O-])O)[S+](C)CCCCCCCCCCCC

InChI

InChI=1S/C34H72NO4S2/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-35(3,4)34(33(36)32-41(37,38)39)40(5)31-29-27-25-23-17-15-13-11-9-7-2/h33-34,36H,6-32H2,1-5H3/q+1